Tormentic Acid

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  • Identifiers

    CAS number
    13850-16-3

    Molecular formula
    C30H48O5

    SMILES
    C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O

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  • Odor profile

    Fragrance
    Woody 71.11%
    Balsamic 45.55%
    Spicy 44.82%
    Amber 42.06%
    Cedar 40.01%
    Camphoreous 38.57%
    Herbal 37.71%
    Dry 37.48%
    Pine 34.83%
    Earthy 32.69%

     

    Flavor
    Bitter 44.01%
    Woody 42.71%
    Pine 40.32%
    Camphor 38.38%
    Herbal 37.72%
    Balsam 35.99%
    Minty 33.62%
    Sweet 31.34%
    Earthy 28.26%
    Fresh 27.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    5.92 (weak acid)

    Molecular weight
    488.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    116°C

    Flash point

    • 279.32 ˚C est.

  • Synonyms

    • Tormentic acid
    • 13850-16-3
    • 9WL8LH7U78
    • Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2alpha,3beta)-
    • RefChem:933200
    • Jacarandic acid
    • tomentic acid
    • (1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • (1R,2R,4AS,6AS,6BR,8AR,10R,11R,12AR,12BR,14BS)-1,10,11-TRIHYDROXY-1,2,6A,6B,9,9,12A-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID
    • CHEBI:70682
    • 2alpha,3beta,19-Trihydroxyurs-12-en-28-oic acid
    • Tormenticacid
    • 2?,3?,19?-Trihydroxy-12-ursen-28-oic Acid; (2?,3?)-2,3,19-Trihydroxyurs-12-en-28-oic Acid; 2?,19?-Dihydroxyursolic Acid; 2?,3?,19-Trihydroxyurs-12-en-28-oic Acid; 2?,3?,19?-Trihydroxyurs-12-en-28-oic Acid; Tormentolic Acid
    • MFCD09970923
    • TORMENTOLIC ACID
    • Tormentic acid (Standard)
    • UNII-9WL8LH7U78
    • SCHEMBL94231
    • Urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2|A,3|A)-
    • CHEMBL239077
    • HY-N4137R
    • DTXSID40930135
    • 2,3,19-Trihydroxyurs-12-en-28-oic acid (2alpha,3beta)-
    • HY-N4137
    • BDBM50593989
    • NSC720893
    • AKOS032962136
    • NSC-720893
    • DA-78542
    • 2,3,19-Trihydroxyurs-12-en-28-oic acid
    • CS-0032207
    • 2,3,19-trihydroxy urs-12-en-28-oic acid
    • 2.ALPHA.,19.ALPHA.-DIHYDROXYURSOLIC ACID
    • Q15634134
    • 2.alpha.,19.alpha.-Trihydroxy-urs-12-en-28-oic acid
    • 2alpha,3beta,19alpha-trihydroxy-urs-12-en-28-oic acid
    • 2.alpha.,3.alpha.,19.alpha.-Trihydroxyurs-12-en-28-oic acid
    • 2.ALPHA.,3.BETA.,19-TRIHYDROXYURS-12-EN-28-OIC ACID
    • URS-12-EN-28-OIC ACID, 2.ALPHA.,3.BETA.,19-TRIHYDROXY-
    • (2.ALPHA.,3.BETA.)-2,3,19-TRIHYDROXYURS-12-EN-28-OIC ACID
    • 2.ALPHA.,3.BETA.,19.ALPHA.-TRIHYDROXYURS-12-EN-28-OIC ACID
    • URS-12-EN-28-OIC ACID, 2,3,19-TRIHYDROXY-, (2.ALPHA.,3.BETA.)-
    • 13850-16-3

  • Applications

    Tormentic acid (CAS 13850-16-3) is a plant-derived pentacyclic triterpenoid that is mainly used in chemical research as an intermediate and as a reference scaffold for the synthesis and isolation of triterpenoid derivatives. In pharmaceuticals and medicinal chemistry, it is commonly evaluated as a starting point for developing new compounds with triterpenoid frameworks, without asserting therapeutic claims. In cosmetics and personal care, tormentic acid is studied as a potential bioactive ingredient in formulations due to its natural product origin. In agriculture and agrochemicals, it is explored for pesticidal or antifeedant activity and as a lead for natural-product–based pest management strategies. In industrial and materials research, it may serve as a specialty building block for natural product–inspired polymers, coatings, or specialty chemicals, with use contingent on regulatory and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.01
    methanol 25.5
    isopropanol 7.24
    water 0.01
    ethyl acetate 2.75
    n-propanol 13.35
    acetone 5.91
    n-butanol 6.96
    acetonitrile 1.39
    DMF 79.99
    toluene 2.32
    isobutanol 5.43
    1,4-dioxane 30.39
    methyl acetate 3.1
    THF 69.81
    2-butanone 6.08
    n-pentanol 5.0
    sec-butanol 3.16
    n-hexane 0.13
    ethylene glycol 2.56
    NMP 29.95
    cyclohexane 0.13
    DMSO 25.26
    n-butyl acetate 2.82
    n-octanol 2.22
    chloroform 7.08
    n-propyl acetate 2.09
    acetic acid 6.28
    dichloromethane 4.29
    cyclohexanone 8.98
    propylene glycol 4.94
    isopropyl acetate 2.39
    DMAc 30.02
    2-ethoxyethanol 18.97
    isopentanol 3.51
    n-heptane 0.11
    ethyl formate 2.47
    1,2-dichloroethane 2.92
    n-hexanol 5.14
    2-methoxyethanol 41.35
    isobutyl acetate 1.67
    tetrachloromethane 0.93
    n-pentyl acetate 4.84
    transcutol 20.38
    n-heptanol 4.41
    ethylbenzene 1.18
    MIBK 2.99
    2-propoxyethanol 36.91
    tert-butanol 3.59
    MTBE 2.55
    2-butoxyethanol 19.01
    propionic acid 3.65
    o-xylene 1.29
    formic acid 5.48
    diethyl ether 3.88
    m-xylene 1.56
    p-xylene 1.24
    chlorobenzene 1.84
    dimethyl carbonate 4.47
    n-octane 0.06
    formamide 6.92
    cyclopentanone 19.18
    2-pentanone 4.53
    anisole 4.18
    cyclopentyl methyl ether 8.32
    gamma-butyrolactone 15.7
    1-methoxy-2-propanol 31.62
    pyridine 15.0
    3-pentanone 3.04
    furfural 12.33
    n-dodecane 0.02
    diethylene glycol 21.5
    diisopropyl ether 0.72
    tert-amyl alcohol 2.25
    acetylacetone 5.66
    n-hexadecane 0.03
    acetophenone 3.91
    methyl propionate 4.82
    isopentyl acetate 2.87
    trichloroethylene 7.23
    n-nonanol 2.46
    cyclohexanol 2.56
    benzyl alcohol 6.05
    2-ethylhexanol 1.63
    isooctanol 2.97
    dipropyl ether 2.56
    1,2-dichlorobenzene 1.64
    ethyl lactate 2.62
    propylene carbonate 4.22
    n-methylformamide 19.12
    2-pentanol 2.05
    n-pentane 0.13
    1-propoxy-2-propanol 17.09
    1-methoxy-2-propyl acetate 8.7
    2-(2-methoxypropoxy) propanol 8.71
    mesitylene 0.83
    ε-caprolactone 7.69
    p-cymene 0.76
    epichlorohydrin 21.42
    1,1,1-trichloroethane 1.6
    2-aminoethanol 10.71
    morpholine-4-carbaldehyde 50.01
    sulfolane 20.84
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 10.31
    n-hexyl acetate 4.72
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 14.74
    sec-butyl acetate 1.33
    tert-butyl acetate 2.92
    decalin 0.12
    glycerin 9.35
    diglyme 24.65
    acrylic acid 4.14
    isopropyl myristate 0.98
    n-butyric acid 4.92
    acetyl acetate 1.89
    di(2-ethylhexyl) phthalate 2.61
    ethyl propionate 1.91
    nitromethane 9.22
    1,2-diethoxyethane 5.2
    benzonitrile 2.75
    trioctyl phosphate 1.73
    1-bromopropane 1.33
    gamma-valerolactone 39.32
    n-decanol 1.16
    triethyl phosphate 1.33
    4-methyl-2-pentanol 1.42
    propionitrile 2.15
    vinylene carbonate 5.27
    1,1,2-trichlorotrifluoroethane 15.2
    DMS 3.93
    cumene 0.81
    2-octanol 1.7
    2-hexanone 3.2
    octyl acetate 1.77
    limonene 0.87
    1,2-dimethoxyethane 22.17
    ethyl orthosilicate 1.51
    tributyl phosphate 1.25
    diacetone alcohol 5.9
    N,N-dimethylaniline 3.48
    acrylonitrile 3.39
    aniline 4.19
    1,3-propanediol 13.89
    bromobenzene 1.47
    dibromomethane 2.45
    1,1,2,2-tetrachloroethane 5.86
    2-methyl-cyclohexyl acetate 2.43
    tetrabutyl urea 2.27
    diisobutyl methanol 0.93
    2-phenylethanol 6.78
    styrene 1.23
    dioctyl adipate 2.17
    dimethyl sulfate 7.06
    ethyl butyrate 1.83
    methyl lactate 6.23
    butyl lactate 5.99
    diethyl carbonate 1.11
    propanediol butyl ether 14.11
    triethyl orthoformate 2.32
    p-tert-butyltoluene 0.82
    methyl 4-tert-butylbenzoate 6.63
    morpholine 47.42
    tert-butylamine 1.18
    n-dodecanol 0.53
    dimethoxymethane 45.03
    ethylene carbonate 3.93
    cyrene 10.88
    2-ethoxyethyl acetate 9.33
    2-ethylhexyl acetate 2.09
    1,2,4-trichlorobenzene 2.71
    4-methylpyridine 8.03
    dibutyl ether 0.98
    2,6-dimethyl-4-heptanol 0.93
    DEF 7.21
    dimethyl isosorbide 14.34
    tetrachloroethylene 4.83
    eugenol 8.54
    triacetin 4.76
    span 80 8.01
    1,4-butanediol 4.78
    1,1-dichloroethane 1.86
    2-methyl-1-pentanol 2.6
    methyl formate 9.64
    2-methyl-1-butanol 3.39
    n-decane 0.07
    butyronitrile 2.03
    3,7-dimethyl-1-octanol 1.45
    1-chlorooctane 0.47
    1-chlorotetradecane 0.1
    n-nonane 0.06
    undecane 0.04
    tert-butylcyclohexane 0.11
    cyclooctane 0.07
    cyclopentanol 5.32
    tetrahydropyran 11.54
    tert-amyl methyl ether 1.83
    2,5,8-trioxanonane 13.27
    1-hexene 0.6
    2-isopropoxyethanol 8.84
    2,2,2-trifluoroethanol 2.09
    methyl butyrate 2.57

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction